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Compound Detail

CHEMBL272059

IROMYCIN F
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CCCC1=C(C/C=C(\C)C/C=C/C(C)C)N=C(O)C(C)(O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272059
Name IROMYCIN F
Phase Preclinical
Structure Type MOL
InChI Key CFXXCKIWSIISPX-DTCTWCMCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
4.27
ALogP
3
HBA
2
HBD
69.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H29NO3
MW 319.44
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 1.64

Literature References

PubMed DOI Target Context # Activities
18054490 10.1016/j.bmc.2007.11.023 Mitochondrial complex I; NADH oxidoreductase 1

Data from ChEMBL 36 via Core Engine